N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide

C19H15N3O — CID 1483614

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1
InChIInChI=1S/C19H15N3O/c23-18(14-7-2-1-3-8-14)22-19-20-12-15-11-10-13-6-4-5-9-16(13)17(15)21-19/h1-9,12H,10-11H2,(H,20,21,22,23)
InChIKeyPULONVIRFQPJAG-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.49
Rot. Bonds2

About N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide (PubChem CID 1483614) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
PubChem CID1483614
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1
InChIInChI=1S/C19H15N3O/c23-18(14-7-2-1-3-8-14)22-19-20-12-15-11-10-13-6-4-5-9-16(13)17(15)21-19/h1-9,12H,10-11H2,(H,20,21,22,23)
InChIKeyPULONVIRFQPJAG-UHFFFAOYSA-N
XLogP3.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide (CID 1483614) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide is O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
The InChIKey is PULONVIRFQPJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c23-18(14-7-2-1-3-8-14)22-19-20-12-15-11-10-13-6-4-5-9-16(13)17(15)21-19/h1-9,12H,10-11H2,(H,20,21,22,23).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide is sourced from PubChem (CID 1483614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).